(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methanone Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H29N3O5S/c1-16-14-20(17(2)26(16)18-4-5-18)23(27)24-8-10-25(11-9-24)32(28,29)19-6-7-21-22(15-19)31-13-3-12-30-21/h6-7,14-15,18H,3-5,8-13H2,1-2H3