2-[4-methoxy-3-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[4-methoxy-3-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-methoxy-3-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[4-methoxy-3-[5-[(2-phenyl-1-azepanyl)methyl]-1H-pyrrol-2-yl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-methoxy-3-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-methoxy-3-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C33H37N3O3S MolecularWeight: 555.73018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C4=CC=C(N4)CN5CCCCCC5C6=CC=CC=C6

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C4=CC=C(N4)CN5CCCCCC5C6=CC=CC=C6

InChI

InChI=1S/C33H37N3O3S/c1-39-33-18-16-29(40(37,38)36-21-19-25-10-7-8-13-27(25)23-36)22-30(33)31-17-15-28(34-31)24-35-20-9-3-6-14-32(35)26-11-4-2-5-12-26/h2,4-5,7-8,10-13,15-18,22,32,34H,3,6,9,14,19-21,23-24H2,1H3