3-(azepan-1-ylsulfonyl)-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[[4-(1-piperidyl)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-[[4-(1-piperidinyl)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-piperidinobenzyl)benzamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H35N3O3S/c1-21-9-12-23(19-25(21)33(31,32)29-17-7-2-3-8-18-29)26(30)27-20-22-10-13-24(14-11-22)28-15-5-4-6-16-28/h9-14,19H,2-8,15-18,20H2,1H3,(H,27,30)