N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(4-isopropoxyphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[4-[(4-propan-2-yloxyphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(4-isopropoxybenzyl)piperazino]acetamide Formula: C28H40N4O4S MolecularWeight: 528.7066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C28H40N4O4S/c1-23(2)36-26-11-7-24(8-12-26)21-30-17-19-31(20-18-30)22-28(33)29-25-9-13-27(14-10-25)37(34,35)32-15-5-3-4-6-16-32/h7-14,23H,3-6,15-22H2,1-2H3,(H,29,33)