4-[[4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazino]methyl]benzonitrile Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H34N4O3S/c28-21-24-5-7-25(8-6-24)22-29-17-19-30(20-18-29)27(32)14-11-23-9-12-26(13-10-23)35(33,34)31-15-3-1-2-4-16-31/h5-10,12-13H,1-4,11,14-20,22H2