S-azanyl 4-[2-[3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]-3-oxidanylidene-3-piperidin-1-yl-propyl]benzenecarbothioate

Systemtic Name: S-azanyl 4-[2-[3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]-3-oxidanylidene-3-piperidin-1-yl-propyl]benzenecarbothioate Openeye Name: S-amino 4-[2-[3-[(6,7-dimethoxy-2-naphthyl)sulfonylamino]-2-oxo-pyrrolidin-1-yl]-3-oxo-3-(1-piperidyl)propyl]benzenecarbothioate CAS Name: 4-[2-[3-[(6,7-dimethoxy-2-naphthalenyl)sulfonylamino]-2-oxo-1-pyrrolidinyl]-3-oxo-3-(1-piperidinyl)propyl]benzenecarbothioic acid S-amino ester IUPAC Name: S-amino 4-[2-[3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-3-oxo-3-piperidin-1-ylpropyl]benzenecarbothioate Traditional Name: 4-[2-[3-[(6,7-dimethoxy-2-naphthyl)sulfonylamino]-2-keto-pyrrolidino]-3-keto-3-piperidino-propyl]thiobenzoic acid S-amino ester Formula: C31H36N4O7S2 MolecularWeight: 640.77014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)NC3CCN(C3=O)C(CC4=CC=C(C=C4)C(=O)SN)C(=O)N5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)NC3CCN(C3=O)C(CC4=CC=C(C=C4)C(=O)SN)C(=O)N5CCCCC5)OC

InChI

InChI=1S/C31H36N4O7S2/c1-41-27-18-22-10-11-24(17-23(22)19-28(27)42-2)44(39,40)33-25-12-15-35(29(25)36)26(30(37)34-13-4-3-5-14-34)16-20-6-8-21(9-7-20)31(38)43-32/h6-11,17-19,25-26,33H,3-5,12-16,32H2,1-2H3