2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-chloranyl-4-methoxy-phenyl)propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C20H31ClN4O4S MolecularWeight: 459.00254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31ClN4O4S/c1-16(20(26)22-17-7-8-19(29-2)18(21)15-17)23-11-13-25(14-12-23)30(27,28)24-9-5-3-4-6-10-24/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,22,26)