2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-(4-benzyl-1-piperidyl)propan-1-one CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-(4-benzylpiperidin-1-yl)propan-1-one Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-1-(4-benzylpiperidino)propan-1-one Formula: C25H40N4O3S MolecularWeight: 476.6751

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H40N4O3S/c1-22(25(30)27-15-11-24(12-16-27)21-23-9-5-4-6-10-23)26-17-19-29(20-18-26)33(31,32)28-13-7-2-3-8-14-28/h4-6,9-10,22,24H,2-3,7-8,11-21H2,1H3