[4-[(4-methoxy-3-nitro-phenyl)sulfonyl-pentanoyl-amino]naphthalen-1-yl] pentanoate

Systemtic Name: [4-[(4-methoxy-3-nitro-phenyl)sulfonyl-pentanoyl-amino]naphthalen-1-yl] pentanoate Openeye Name: [4-[(4-methoxy-3-nitro-phenyl)sulfonyl-pentanoyl-amino]-1-naphthyl] pentanoate CAS Name: pentanoic acid [4-[(4-methoxy-3-nitrophenyl)sulfonyl-(1-oxopentyl)amino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-methoxy-3-nitrophenyl)sulfonyl-pentanoylamino]naphthalen-1-yl] pentanoate Traditional Name: valeric acid [4-[(4-methoxy-3-nitro-phenyl)sulfonyl-valeryl-amino]-1-naphthyl] ester Formula: C27H30N2O8S MolecularWeight: 542.6007

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(C1=CC=C(C2=CC=CC=C21)OC(=O)CCCC)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N(C1=CC=C(C2=CC=CC=C21)OC(=O)CCCC)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H30N2O8S/c1-4-6-12-26(30)28(38(34,35)19-14-16-25(36-3)23(18-19)29(32)33)22-15-17-24(37-27(31)13-7-5-2)21-11-9-8-10-20(21)22/h8-11,14-18H,4-7,12-13H2,1-3H3