N-[(Z)-4-phenylbutan-2-ylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(Z)-4-phenylbutan-2-ylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(Z)-(1-methyl-3-phenyl-propylidene)amino]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(Z)-4-phenylbutan-2-ylideneamino]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(Z)-4-phenylbutan-2-ylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(Z)-(1-methyl-3-phenyl-propylidene)amino]-3-pyrrolidinosulfonyl-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)CCC3=CC=CC=C3

Isomeric SMILES

C/C(=N/NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)/CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-17(12-13-18-8-3-2-4-9-18)22-23-21(25)19-10-7-11-20(16-19)28(26,27)24-14-5-6-15-24/h2-4,7-11,16H,5-6,12-15H2,1H3,(H,23,25)/b22-17-