2-[(4S)-4-azanyl-5-(1-benzothiophen-2-yl)-5-oxidanyl-pentyl]-1-(4-methylphenyl)sulfonyl-guanidine

Systemtic Name: 2-[(4S)-4-azanyl-5-(1-benzothiophen-2-yl)-5-oxidanyl-pentyl]-1-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 2-[(4S)-4-amino-5-(benzothiophen-2-yl)-5-hydroxy-pentyl]-1-(p-tolylsulfonyl)guanidine CAS Name: 2-[(4S)-4-amino-5-(1-benzothiophen-2-yl)-5-hydroxypentyl]-1-(4-methylphenyl)sulfonylguanidine IUPAC Name: 2-[(4S)-4-amino-5-(1-benzothiophen-2-yl)-5-hydroxypentyl]-1-(4-methylphenyl)sulfonylguanidine Traditional Name: 2-[(4S)-4-amino-5-(benzothiophen-2-yl)-5-hydroxy-pentyl]-1-tosyl-guanidine Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(C2=CC3=CC=CC=C3S2)O)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(C2=CC3=CC=CC=C3S2)O)N)N

InChI

InChI=1S/C21H26N4O3S2/c1-14-8-10-16(11-9-14)30(27,28)25-21(23)24-12-4-6-17(22)20(26)19-13-15-5-2-3-7-18(15)29-19/h2-3,5,7-11,13,17,20,26H,4,6,12,22H2,1H3,(H3,23,24,25)/t17-,20?/m0/s1