2-(4-chlorophenyl)sulfonyl-3-(4-pyrrol-1-ylpiperidin-1-yl)prop-2-enenitrile

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-(4-pyrrol-1-ylpiperidin-1-yl)prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-(4-pyrrol-1-yl-1-piperidyl)prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-[4-(1-pyrrolyl)-1-piperidinyl]-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-(4-pyrrol-1-ylpiperidin-1-yl)prop-2-enenitrile Traditional Name: 2-(4-chlorophenyl)sulfonyl-3-(4-pyrrol-1-ylpiperidino)acrylonitrile Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=CC=C2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1N2C=CC=C2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S/c19-15-3-5-17(6-4-15)25(23,24)18(13-20)14-21-11-7-16(8-12-21)22-9-1-2-10-22/h1-6,9-10,14,16H,7-8,11-12H2