[3-(azepan-1-ylsulfonyl)phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[3-(1H-benzimidazol-2-yl)-1-piperidyl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[3-(1H-benzimidazol-2-yl)piperidino]methanone Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H30N4O3S/c30-25(19-9-7-11-21(17-19)33(31,32)29-15-5-1-2-6-16-29)28-14-8-10-20(18-28)24-26-22-12-3-4-13-23(22)27-24/h3-4,7,9,11-13,17,20H,1-2,5-6,8,10,14-16,18H2,(H,26,27)