2-[(4S)-5-(4-ethanoylpiperazin-1-yl)-4-[(3-methylphenyl)sulfonylamino]-5-oxidanylidene-pentyl]guanidine

Systemtic Name: 2-[(4S)-5-(4-ethanoylpiperazin-1-yl)-4-[(3-methylphenyl)sulfonylamino]-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[(4S)-5-(4-acetylpiperazin-1-yl)-4-(m-tolylsulfonylamino)-5-oxo-pentyl]guanidine CAS Name: 2-[(4S)-5-(4-acetyl-1-piperazinyl)-4-[(3-methylphenyl)sulfonylamino]-5-oxopentyl]guanidine IUPAC Name: 2-[(4S)-5-(4-acetylpiperazin-1-yl)-4-[(3-methylphenyl)sulfonylamino]-5-oxopentyl]guanidine Traditional Name: 2-[(4S)-5-(4-acetylpiperazino)-5-keto-4-(m-tolylsulfonylamino)pentyl]guanidine Formula: C19H30N6O4S MolecularWeight: 438.5443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C19H30N6O4S/c1-14-5-3-6-16(13-14)30(28,29)23-17(7-4-8-22-19(20)21)18(27)25-11-9-24(10-12-25)15(2)26/h3,5-6,13,17,23H,4,7-12H2,1-2H3,(H4,20,21,22)/t17-/m0/s1