2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-propionamide Formula: C23H37N5O4S MolecularWeight: 479.63598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H37N5O4S/c1-19-8-10-21(11-9-19)24-22(29)18-25(3)23(30)20(2)26-14-16-28(17-15-26)33(31,32)27-12-6-4-5-7-13-27/h8-11,20H,4-7,12-18H2,1-3H3,(H,24,29)