1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(benzimidazol-1-yl)propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(benzimidazol-1-yl)propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(benzimidazol-1-yl)propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(1-benzimidazolyl)-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(benzimidazol-1-yl)propan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(benzimidazol-1-yl)propan-1-one Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=NC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H29N5O3S/c26-20(9-12-23-17-21-18-7-3-4-8-19(18)23)22-13-15-25(16-14-22)29(27,28)24-10-5-1-2-6-11-24/h3-4,7-8,17H,1-2,5-6,9-16H2