N-[(4S)-8-azanyl-2-chloranyl-1,3-bis(oxidanylidene)octan-4-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(4S)-8-azanyl-2-chloranyl-1,3-bis(oxidanylidene)octan-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-5-amino-1-(2-chloro-3-oxo-propanoyl)pentyl]-4-methyl-benzenesulfonamide CAS Name: N-[(4S)-8-amino-2-chloro-1,3-dioxooctan-4-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(4S)-8-amino-2-chloro-1,3-dioxooctan-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-5-amino-1-(2-chloro-3-keto-propanoyl)pentyl]-4-methyl-benzenesulfonamide Formula: C15H21ClN2O4S MolecularWeight: 360.85624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCN)C(=O)C(C=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCN)C(=O)C(C=O)Cl

InChI

InChI=1S/C15H21ClN2O4S/c1-11-5-7-12(8-6-11)23(21,22)18-14(4-2-3-9-17)15(20)13(16)10-19/h5-8,10,13-14,18H,2-4,9,17H2,1H3/t13?,14-/m0/s1