2-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-[4-(azepan-1-ylsulfonyl)piperazino]-3-keto-prop-1-enyl]benzonitrile Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C20H26N4O3S/c21-17-19-8-4-3-7-18(19)9-10-20(25)22-13-15-24(16-14-22)28(26,27)23-11-5-1-2-6-12-23/h3-4,7-10H,1-2,5-6,11-16H2/b10-9+