2-[(4S)-4-azanyl-6-chloranyl-5-oxidanylidene-hexyl]-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-guanidine

Systemtic Name: 2-[(4S)-4-azanyl-6-chloranyl-5-oxidanylidene-hexyl]-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-guanidine Openeye Name: 2-[(4S)-4-amino-6-chloro-5-oxo-hexyl]-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-guanidine CAS Name: 2-[(4S)-4-amino-6-chloro-5-oxohexyl]-1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylguanidine IUPAC Name: 2-[(4S)-4-amino-6-chloro-5-oxohexyl]-1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylguanidine Traditional Name: 2-[(4S)-4-amino-6-chloro-5-keto-hexyl]-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-guanidine Formula: C17H27ClN4O4S MolecularWeight: 418.93868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC(C(=O)CCl)N)N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)CCl)N)N)C)C)OC

InChI

InChI=1S/C17H27ClN4O4S/c1-10-8-15(26-4)11(2)12(3)16(10)27(24,25)22-17(20)21-7-5-6-13(19)14(23)9-18/h8,13H,5-7,9,19H2,1-4H3,(H3,20,21,22)/t13-/m0/s1