cyclohexylsulfamic acid; 1-methyl-N-[2-(1-phenylindol-3-yl)sulfanylethyl]pyrrolidin-2-imine

Systemtic Name: cyclohexylsulfamic acid; 1-methyl-N-[2-(1-phenylindol-3-yl)sulfanylethyl]pyrrolidin-2-imine Openeye Name: cyclohexylsulfamic acid; 1-methyl-N-[2-(1-phenylindol-3-yl)sulfanylethyl]pyrrolidin-2-imine CAS Name: cyclohexylsulfamic acid; 1-methyl-N-[2-[(1-phenyl-3-indolyl)thio]ethyl]-2-pyrrolidinimine IUPAC Name: cyclohexylsulfamic acid; 1-methyl-N-[2-(1-phenylindol-3-yl)sulfanylethyl]pyrrolidin-2-imine Traditional Name: cyclohexylsulfamic acid; (1-methylpyrrolidin-2-ylidene)-[2-[(1-phenylindol-3-yl)thio]ethyl]amine Formula: C27H36N4O3S2 MolecularWeight: 528.72974

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1=NCCSC2=CN(C3=CC=CC=C32)C4=CC=CC=C4.C1CCC(CC1)NS(=O)(=O)O

Isomeric SMILES

CN1CCCC1=NCCSC2=CN(C3=CC=CC=C32)C4=CC=CC=C4.C1CCC(CC1)NS(=O)(=O)O

InChI

InChI=1S/C21H23N3S.C6H13NO3S/c1-23-14-7-12-21(23)22-13-15-25-20-16-24(17-8-3-2-4-9-17)19-11-6-5-10-18(19)20;8-11(9,10)7-6-4-2-1-3-5-6/h2-6,8-11,16H,7,12-15H2,1H3;6-7H,1-5H2,(H,8,9,10)