2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[(2,4-dimethylanilino)-oxomethyl]propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-[(2,4-dimethylphenyl)carbamoyl]propionamide Formula: C22H35N5O4S MolecularWeight: 465.6094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O4S/c1-17-8-9-20(18(2)16-17)23-22(29)24-21(28)19(3)25-12-14-27(15-13-25)32(30,31)26-10-6-4-5-7-11-26/h8-9,16,19H,4-7,10-15H2,1-3H3,(H2,23,24,28,29)