3-(azepan-1-ylsulfonyl)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(4-isopropoxyphenyl)methyl]-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-isopropoxybenzyl)-4-methyl-benzamide Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)OC(C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)OC(C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H32N2O4S/c1-18(2)30-22-12-9-20(10-13-22)17-25-24(27)21-11-8-19(3)23(16-21)31(28,29)26-14-6-4-5-7-15-26/h8-13,16,18H,4-7,14-15,17H2,1-3H3,(H,25,27)