N-[4-(dipropylamino)cyclohepta[b]indol-7-yl]-4-phenyl-butanamide; (4-methylphenyl)methanesulfonic acid

Systemtic Name: N-[4-(dipropylamino)cyclohepta[b]indol-7-yl]-4-phenyl-butanamide; (4-methylphenyl)methanesulfonic acid Openeye Name: N-[4-(dipropylamino)cyclohepta[b]indol-7-yl]-4-phenyl-butanamide; p-tolylmethanesulfonic acid CAS Name: N-[4-(dipropylamino)-7-cyclohepta[b]indolyl]-4-phenylbutanamide; (4-methylphenyl)methanesulfonic acid IUPAC Name: N-[4-(dipropylamino)cyclohepta[b]indol-7-yl]-4-phenylbutanamide; (4-methylphenyl)methanesulfonic acid Traditional Name: N-[4-(dipropylamino)cyclohept[b]indol-7-yl]-4-phenyl-butyramide; p-tolylmethanesulfonic acid Formula: C37H43N3O4S MolecularWeight: 625.82002

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)CCCC4=CC=CC=C4.CC1=CC=C(C=C1)CS(=O)(=O)O

Isomeric SMILES

CCCN(CCC)C1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=O)CCCC4=CC=CC=C4.CC1=CC=C(C=C1)CS(=O)(=O)O

InChI

InChI=1S/C29H33N3O.C8H10O3S/c1-3-19-32(20-4-2)27-17-10-16-25-24-15-9-14-23(21-26(24)31-29(25)27)30-28(33)18-8-13-22-11-6-5-7-12-22;1-7-2-4-8(5-3-7)6-12(9,10)11/h5-7,9-12,14-17,21H,3-4,8,13,18-20H2,1-2H3,(H,30,33);2-5H,6H2,1H3,(H,9,10,11)