2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(diphenylmethyl)propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(diphenylmethyl)propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-benzhydryl-propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(diphenylmethyl)propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-benzhydrylpropanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-benzhydryl-propionamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H36N4O3S/c1-22(26(31)27-25(23-12-6-4-7-13-23)24-14-8-5-9-15-24)28-18-20-30(21-19-28)34(32,33)29-16-10-2-3-11-17-29/h4-9,12-15,22,25H,2-3,10-11,16-21H2,1H3,(H,27,31)