N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(2-pyridylmethyl)piperazin-1-yl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[4-(2-pyridinylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(2-pyridylmethyl)piperazino]acetamide Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=N3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=N3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H35N5O3S/c1-21-9-10-22(18-24(21)34(32,33)30-12-6-2-3-7-13-30)27-25(31)20-29-16-14-28(15-17-29)19-23-8-4-5-11-26-23/h4-5,8-11,18H,2-3,6-7,12-17,19-20H2,1H3,(H,27,31)