methyl 2-[(4-phenylphenyl)sulfonylamino]-6-pyrrolidin-1-yl-hex-4-ynoate

Systemtic Name: methyl 2-[(4-phenylphenyl)sulfonylamino]-6-pyrrolidin-1-yl-hex-4-ynoate Openeye Name: methyl 2-[(4-phenylphenyl)sulfonylamino]-6-pyrrolidin-1-yl-hex-4-ynoate CAS Name: 2-[(4-phenylphenyl)sulfonylamino]-6-(1-pyrrolidinyl)-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[(4-phenylphenyl)sulfonylamino]-6-pyrrolidin-1-ylhex-4-ynoate Traditional Name: 2-[(4-phenylphenyl)sulfonylamino]-6-pyrrolidino-hex-4-ynoic acid methyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CCN1CCCC1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC#CCN1CCCC1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4S/c1-29-23(26)22(11-5-6-16-25-17-7-8-18-25)24-30(27,28)21-14-12-20(13-15-21)19-9-3-2-4-10-19/h2-4,9-10,12-15,22,24H,7-8,11,16-18H2,1H3