N-[3-(azepan-1-yl)propyl]-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-[3-(1-azepanyl)propyl]-4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-[(4-besylpiperazino)methyl]benzamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H38N4O3S/c32-27(28-15-8-18-29-16-6-1-2-7-17-29)25-13-11-24(12-14-25)23-30-19-21-31(22-20-30)35(33,34)26-9-4-3-5-10-26/h3-5,9-14H,1-2,6-8,15-23H2,(H,28,32)