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

Systemtic Name: 2-[(4S)-4-[(3-methylphenyl)sulfonylamino]-5-oxidanylidene-5-piperazin-1-yl-pentyl]guanidine Openeye Name: 2-[(4S)-4-(m-tolylsulfonylamino)-5-oxo-5-piperazin-1-yl-pentyl]guanidine CAS Name: 2-[(4S)-4-[(3-methylphenyl)sulfonylamino]-5-oxo-5-(1-piperazinyl)pentyl]guanidine IUPAC Name: 2-[(4S)-4-[(3-methylphenyl)sulfonylamino]-5-oxo-5-piperazin-1-ylpentyl]guanidine Traditional Name: 2-[(4S)-5-keto-4-(m-tolylsulfonylamino)-5-piperazino-pentyl]guanidine Formula: C17H28N6O3S MolecularWeight: 396.50762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)N2CCNCC2

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCNCC2

InChI

InChI=1S/C17H28N6O3S/c1-13-4-2-5-14(12-13)27(25,26)22-15(6-3-7-21-17(18)19)16(24)23-10-8-20-9-11-23/h2,4-5,12,15,20,22H,3,6-11H2,1H3,(H4,18,19,21)/t15-/m0/s1