4-(3,3-dimethylpyrrolidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(3,3-dimethylpyrrolidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(3,3-dimethylpyrrolidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(3,3-dimethyl-1-pyrrolidinyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(3,3-dimethylpyrrolidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(3,3-dimethylpyrrolidino)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C27H30N4O5S2 MolecularWeight: 554.6809

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCN(C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H30N4O5S2/c1-27(2)14-16-30(19-27)21-10-8-20(9-11-21)26(32)29-38(35,36)23-12-13-24(25(18-23)31(33)34)28-15-17-37-22-6-4-3-5-7-22/h3-13,18,28H,14-17,19H2,1-2H3,(H,29,32)